>compound trans-Aconitic acid_trans-Aconitic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H6O6
#smiles OC(=O)CC(=CC(O)=O)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100861.txt
>charge -1
>ionization [M-H]-
>parentmass 173.00864

>collision 5-60
85.0291 55.77
129.0165 15.68

